%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
Si 1.17895661 0.00181179 -0.00000008
H 1.87545072 1.3567667 -0.00000008
H 1.90774448 -0.65839144 1.16375021
H 1.90774448 -0.65839144 -1.16375038
Cu -1.13355481 -0.03420782 -0.00000008
C -3.11204761 -0.0643769 -0.00000008
H -3.51390947 -1.09511527 -0.00000008
H -3.5368408 0.44164406 0.88734097
H -3.5368408 0.44164406 -0.88734113

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


